4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide

C18H22N4O2 — CID 56706456

IUPAC4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCN1CCC(CNC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)C1
InChIInChI=1S/C18H22N4O2/c1-22-9-8-12(11-22)10-19-17(23)14-4-2-13(3-5-14)16-20-18(24-21-16)15-6-7-15/h2-5,12,15H,6-11H2,1H3,(H,19,23)
InChIKeyURFJBNGCCRIVCF-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.30
Rot. Bonds5

About 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide

4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 56706456) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
PubChem CID56706456
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
SMILESCN1CCC(CNC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)C1
InChIInChI=1S/C18H22N4O2/c1-22-9-8-12(11-22)10-19-17(23)14-4-2-13(3-5-14)16-20-18(24-21-16)15-6-7-15/h2-5,12,15H,6-11H2,1H3,(H,19,23)
InChIKeyURFJBNGCCRIVCF-UHFFFAOYSA-N
XLogP2.30
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 53032993
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[[(3S,4S)-3-hydroxypiperidin-4-yl]methyl]benzamide
CID 56883579
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 125164487
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 46292695
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 50767461
tert-butyl 4-[[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]methyl]piperidine-1-carboxylate
CID 138489818
N-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 53130355
6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 62160287
N-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide
CID 62180024
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-1-methylpyrrolidin-3-yl]benzamide
CID 90164466

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide (CID 56706456) is 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide is CN1CCC(CNC(=O)c2ccc(-c3noc(C4CC4)n3)cc2)C1.
What is the InChIKey of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is URFJBNGCCRIVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-22-9-8-12(11-22)10-19-17(23)14-4-2-13(3-5-14)16-20-18(24-21-16)15-6-7-15/h2-5,12,15H,6-11H2,1H3,(H,19,23).
What are the key properties of 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide?
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 56706456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).